KEGG   DRUG: Magnolignan
Entry
D09209                      Drug                                   
Name
Magnolignan
Formula
C18H22O2
Exact mass
270.162
Mol weight
270.3661
Structure
Simcomp
Source
Mgnolia [TAX:3402]
Efficacy
Pigmentation agent, Tyrosinase maturation inhibitor
Comment
Magnolol [CPD:C10651] analog
Other DBs
CAS: 20601-85-8
PubChem: 96025889
LigandBox: D09209
NIKKAJI: J277.754A
LinkDB
KCF data

ATOM        20
            1   C8y C    14.0700  -20.0900
            2   C8x C    14.0700  -21.4900
            3   C8x C    15.2824  -22.1900
            4   C8y C    16.4949  -21.4900
            5   C8y C    16.4949  -20.0900
            6   C8x C    15.2824  -19.3900
            7   C8y C    17.7260  -19.3790
            8   C8x C    18.9312  -20.0747
            9   C8y C    20.1435  -19.3746
            10  C8x C    20.1435  -17.9746
            11  C8x C    18.9383  -17.2789
            12  C8y C    17.7259  -17.9790
            13  O1a O    16.5064  -17.2749
            14  O1a O    17.7260  -22.2010
            15  C1b C    21.3751  -20.0854
            16  C1b C    22.5665  -19.3972
            17  C1a C    23.7560  -20.0837
            18  C1b C    12.8576  -19.3900
            19  C1b C    11.6621  -20.0804
            20  C1a C    10.4747  -19.3949
BOND        21
            1     1   2 2
            2     2   3 1
            3     3   4 2
            4     4   5 1
            5     5   6 2
            6     1   6 1
            7     5   7 1
            8     7   8 2
            9     8   9 1
            10    9  10 2
            11   10  11 1
            12   11  12 2
            13    7  12 1
            14   12  13 1
            15    4  14 1
            16    9  15 1
            17   15  16 1
            18   16  17 1
            19    1  18 1
            20   18  19 1
            21   19  20 1

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